CAS 898750-67-9

1-Propanone, 3-(3-chloro-5-fluorophenyl)-1-(2,4-dimethylphenyl)-

Description:

1-Propanone, 3-(3-chloro-5-fluorophenyl)-1-(2,4-dimethylphenyl)-, identified by CAS number 898750-67-9, is an organic compound characterized by its ketone functional group, which is central to its structure. This compound features a propanone backbone with substituents that include a 3-chloro-5-fluorophenyl group and a 2,4-dimethylphenyl group, contributing to its unique chemical properties. The presence of halogen atoms, such as chlorine and fluorine, often enhances the compound's reactivity and can influence its biological activity, making it of interest in pharmaceutical research. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the compound's physical properties, such as solubility and boiling point, would be influenced by the steric and electronic effects of the substituents. Overall, this compound exemplifies the complexity and diversity of organic molecules, particularly those used in advanced chemical synthesis and drug development.

Formula: C₁₇H₁₆ClFO

InChI: InChI=1S/C17H16ClFO/c1-11-3-5-16(12(2)7-11)17(20)6-4-13-8-14(18)10-15(19)9-13/h3,5,7-10H,4,6H2,1-2H3

InChI key: InChIKey=MDXMSFMGKVPFPX-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=C(C)C=C(C)C=C1)C2=CC(Cl)=CC(F)=C2

Synonyms:

• 3-(3-Chloro-5-fluorophenyl)-2′,4′-dimethylpropiophenone
• 1-Propanone, 3-(3-chloro-5-fluorophenyl)-1-(2,4-dimethylphenyl)-
• 3-(3-Chloro-5-fluorophenyl)-1-(2,4-dimethylphenyl)-1-propanone